4,4-difluoro-2,3-dihydrochromen-8-amine

C9H9F2NO — CID 84659928

IUPAC4,4-difluoro-2,3-dihydrochromen-8-amine
SMILESNc1cccc2c1OCCC2(F)F
InChIInChI=1S/C9H9F2NO/c10-9(11)4-5-13-8-6(9)2-1-3-7(8)12/h1-3H,4-5,12H2
InChIKeyOCMOJUHDCVZCCR-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.14
Rot. Bonds

About 4,4-difluoro-2,3-dihydrochromen-8-amine

4,4-difluoro-2,3-dihydrochromen-8-amine (PubChem CID 84659928) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 4,4-difluoro-2,3-dihydrochromen-8-amine.

Molecular Properties

Compound Name4,4-difluoro-2,3-dihydrochromen-8-amine
PubChem CID84659928
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name4,4-difluoro-2,3-dihydrochromen-8-amine
SMILESNc1cccc2c1OCCC2(F)F
InChIInChI=1S/C9H9F2NO/c10-9(11)4-5-13-8-6(9)2-1-3-7(8)12/h1-3H,4-5,12H2
InChIKeyOCMOJUHDCVZCCR-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4,4-difluoro-2,3-dihydrochromen-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,3-dihydrochromen-8-amine?
The IUPAC name of 4,4-difluoro-2,3-dihydrochromen-8-amine (CID 84659928) is 4,4-difluoro-2,3-dihydrochromen-8-amine.
What is the SMILES notation for 4,4-difluoro-2,3-dihydrochromen-8-amine?
The canonical SMILES for 4,4-difluoro-2,3-dihydrochromen-8-amine is Nc1cccc2c1OCCC2(F)F.
What is the InChIKey of 4,4-difluoro-2,3-dihydrochromen-8-amine?
The InChIKey is OCMOJUHDCVZCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-9(11)4-5-13-8-6(9)2-1-3-7(8)12/h1-3H,4-5,12H2.
What are the key properties of 4,4-difluoro-2,3-dihydrochromen-8-amine?
4,4-difluoro-2,3-dihydrochromen-8-amine has a molecular weight of 185.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,3-dihydrochromen-8-amine is sourced from PubChem (CID 84659928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).